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Synthesis, Crystal Structure and Thermal Behavior of 4,5-Diacetoxyl-2-(dinitromethylene)-imidazolidine

✍ Scribed by Kangzhen Xu; Min Wang; Hang Zhang; Biao Yan; Jirong Song; Bozhou Wang; Fengqi Zhao

Publisher
John Wiley and Sons
Year
2011
Tongue
English
Weight
296 KB
Volume
29
Category
Article
ISSN
0256-7660

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✦ Synopsis

Abstract

A new energetic material, 4,5‐diacetoxyl‐2‐(dinitromethylene)‐imidazolidine (DADNI), was synthesized by the reaction of 4,5‐dihydroxyl‐2‐(dinitromethylene)‐imidazolidine (DDNI) and acetic anhydride, and characterized by single crystal X‐ray diffraction. Crystal data for DADNI are monoclinic, space group C__2/c, a=15.9167(3) Å, b=8.6816(4) Å, c=8.5209(3) Å, β=103.294(9)°, V=1145.9(3) Å^3^, Z=4, µ=0.150 mm^−1^, F(000)=600, D~c~=1.682 g·cm^−3^, R~1~=0.0565 and wR~2~=0.1649. Thermal decomposition behavior of DADNI was studied and an intensely exothermic process was observed. The kinetic equation of the decomposition reaction is: d__α/d__T__=(10^16.64^/β)×4__α__^3/4^exp(−1.582×10^5^/RT). The critical temperature of thermal explosion is 163.76°C. The specific heat capacity of DADNI was studied with micro‐DSC method and theoretical calculation method. The molar heat capacity is 343.30 J·mol^−1^·K^−1^ at 298.15 K. The adiabatic time‐to‐explosion of DADNI was calculated to be 87.7 s.

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